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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM275867'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM275867
PNG
(US10071957, Example 86)
Show SMILES COc1ncccc1-c1cc(ccc1Oc1cnc(OC(C)C)c(Cl)c1)C(=O)NS(=O)(=O)N1CCC1
Show InChI InChI=1S/C24H25ClN4O6S/c1-15(2)34-24-20(25)13-17(14-27-24)35-21-8-7-16(22(30)28-36(31,32)29-10-5-11-29)12-19(21)18-6-4-9-26-23(18)33-3/h4,6-9,12-15H,5,10-11H2,1-3H3,(H,28,30)
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PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/a7.425



Genentech Inc

US Patent


Assay Description
Preparation of membranes containing recombinantly expressed sodium channels: Frozen recombinant cell pellets were thawed on ice and diluted to 4 time...


US Patent US10071957 (2018)


BindingDB Entry DOI: 10.7270/Q2J1056P
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM275867
PNG
(US10071957, Example 86)
Show SMILES COc1ncccc1-c1cc(ccc1Oc1cnc(OC(C)C)c(Cl)c1)C(=O)NS(=O)(=O)N1CCC1
Show InChI InChI=1S/C24H25ClN4O6S/c1-15(2)34-24-20(25)13-17(14-27-24)35-21-8-7-16(22(30)28-36(31,32)29-10-5-11-29)12-19(21)18-6-4-9-26-23(18)33-3/h4,6-9,12-15H,5,10-11H2,1-3H3,(H,28,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/a7.2n/a



Genentech Inc

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and...


US Patent US10071957 (2018)


BindingDB Entry DOI: 10.7270/Q2J1056P
More data for this
Ligand-Target Pair